4 papers
AgentDrug: Utilizing Large Language Models in An Agentic Workflow for Zero-Shot Molecular Editing
Khiem Le, Ting Hua, Nitesh V. Chawla
Molecular editing-modifying a given molecule to improve desired properties-is a fundamental task in drug discovery. While LLMs hold the potential to solve this task using natural l…
Building Scaffolding Dialogue Data with LLM-Simulated Novices
Si Chen, Izzy Molnar, Ting Hua +6
High-quality, multi-turn instructional dialogues between novices and experts are essential for developing AI systems that support teaching, learning, and decision-making. These dia…
Automated Benchmark Generation from Domain Guidelines Informed by Bloom's Taxonomy
Si Chen, Le Huy Khiem, Annalisa Szymanski +3
Open-ended question answering (QA) evaluates a model's ability to perform contextualized reasoning beyond factual recall. This challenge is especially acute in practice-based domai…
Onboarding Without Forgetting: Hypernetwork Personalization with Data-Free Replay for Personalized Federated Learning
Thinh Nguyen, Le Huy Khiem, Van-Tuan Tran +3
Federated Learning (FL) enables collaborative training across distributed clients without sharing raw data, offering strong privacy benefits. However, most methods assume all clien…